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(2S)-Norbornane-2-carboxylic acid
(2S)-Norbornane-2-carboxylic acid ID: API-42903
CAS:934-29-2
Supplier:APIchem

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SMILES:OC(=O)[C@@H]1C2CC(C1)CC2	ChemMol.com
FORMULA: C8H12O2
MASS: 140.1797
EXACT MASS: 140.0837296
INTERATOMIC DISTANCES

              O   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   C   3    3.7003     2.9653     0.0000 
   C   4    4.5300     3.9525     1.0001     0.0000 
   C   5    4.8541     4.6914     2.0063     1.2280     0.0000 
   C   6    1.7320     1.7320     2.0000     2.7980     3.2043     0.0000 
   C   7    2.2128     2.7104     2.2361     2.7229     2.7229     1.0001 
   C   8    5.0080     3.6567     1.9828     2.3344     3.5588     3.5722 
   C   9    5.6028     4.4365     2.1009     1.9829     3.1032     4.0089 
   C  10    1.0000     1.0000     2.7979     3.6956     4.1968     1.0000 
   H  11    3.4005     2.4442     0.6199     1.5996     2.6190     1.8132 
   H  12    4.1224     3.3935     0.4364     0.6200     1.7668     2.4091 
   H  13    5.4740     5.2750     2.4861     1.5717     0.6200     3.8194 
   H  14    4.6554     4.7174     2.3139     1.7253     0.6200     3.1074 
   H  15    1.9143     1.2963     1.8535     2.7818     3.4123     0.6200 
   H  16    2.6872     3.3281     2.5383     2.8142     2.5347     1.6190 
   H  17    1.8090     2.7008     2.8120     3.3416     3.3061     1.1954 
   H  18    4.6612     3.1945     2.1032     2.6789     3.9019     3.3693 
   H  19    5.5301     4.0899     2.6010     2.8874     4.0975     4.1557 
   H  20    6.0694     4.7941     2.6821     2.6011     3.7015     4.5306 
   H  21    6.0622     4.9854     2.4345     2.0516     3.0124     4.4140 
   H  22    0.6200     1.8397     4.2060     5.0753     5.4535     2.2900 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.1118     0.0000 
   C   9    4.3362     1.0000     0.0000 
   C  10    1.8478     4.0089     4.6240     0.0000 
   H  11    2.3237     1.7969     2.2102     2.4376     0.0000 
   H  12    2.5437     1.9165     1.8301     3.2308     0.9906     0.0000 
   H  13    3.3363     3.8031     3.1993     4.8090     3.1060     2.1770 
   H  14    2.4556     4.0472     3.6721     4.1062     2.8898     2.1708 
   H  15    1.5906     3.1338     3.6886     0.9539     1.4886     2.2888 
   H  16    0.6200     4.4931     4.5985     2.4440     2.7486     2.7697 
   H  17    0.6200     4.6238     4.9113     1.7316     2.8270     3.1416 
   H  18    4.0368     0.6200     1.6185     3.6644     1.7369     2.1635 
   H  19    4.7255     0.6200     1.1993     4.5306     2.4050     2.5142 
   H  20    4.9165     1.1534     0.6200     5.0777     2.7178     2.4379 
   H  21    4.6280     1.6186     0.6201     5.1019     2.6649     2.0847 
   H  22    2.8316     5.3626     6.0256     1.4158     3.8515     4.6360 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.0299     0.0000 
   H  15    4.0067     3.4212     0.0000 
   H  16    3.1176     2.1462     2.1997     0.0000 
   H  17    3.9120     2.9879     1.8107     0.8924     0.0000 
   H  18    4.2164     4.3343     2.8603     4.4847     4.4942     0.0000 
   H  19    4.2908     4.6113     3.6888     5.1126     5.2290     0.8957 
   H  20    3.7589     4.2796     4.1639     5.2004     5.4799     1.7272 
   H  21    2.9875     3.6169     4.1533     4.8194     5.2256     2.2379 
   H  22    6.0732     5.2693     2.3696     3.3051     2.4228     4.9637 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    1.0000     0.0000 
   H  21    1.7392     0.8575     0.0000 
   H  22    5.8503     6.4593     6.5141     0.0000 



ATOMIC CHARGES
   O   1   -0.4804126644
   O   2   -0.2506969442
   C   3   -0.0278638511
   C   4   -0.0400002023
   C   5   -0.0465873845
   C   6    0.0593497156
   C   7   -0.0369995504
   C   8   -0.0491958889
   C   9   -0.0499086308
   C  10    0.3080916305
   H  11    0.0308698821
   H  12    0.0301071779
   H  13    0.0270798083
   H  14    0.0270798083
   H  15    0.0416089952
   H  16    0.0275834488
   H  17    0.0275834488
   H  18    0.0268227245
   H  19    0.0268227245
   H  20    0.0268026709
   H  21    0.0268026709
   H  22    0.2950604101


BOND ANGLES
  10    1   22   C2   O3   HO    120.002
   5    3    6   C3   C3   C3    106.222
   5    3    8   C3   C3   C3    126.277
   5    3   11   C3   C3   HC    169.969
   6    3    8   C3   C3   C3    127.501
   6    3   11   C3   C3   HC     63.747
   8    3   11   C3   C3   HC     63.754
   5    4    7   C3   C3   C3     76.968
   5    4    9   C3   C3   C3    149.360
   5    4   12   C3   C3   HC    143.799
   7    4    9   C3   C3   C3    133.673
   7    4   12   C3   C3   HC     66.831
   9    4   12   C3   C3   HC     66.841
   3    5    4   C3   C3   C3     23.080
   3    5   13   C3   C3   HC    135.384
   3    5   14   C3   C3   HC    112.301
   4    5   13   C3   C3   HC    112.305
   4    5   14   C3   C3   HC    135.380
  13    5   14   HC   C3   HC    112.315
   3    6    7   C3   C3   C3     89.999
   3    6   10   C3   C3   C2    134.999
   3    6   15   C3   C3   HC     67.496
   7    6   10   C3   C3   C2    135.003
   7    6   15   C3   C3   HC    157.494
  10    6   15   C2   C3   HC     67.503
   4    7    6   C3   C3   C3     83.827
   4    7   16   C3   C3   HC     92.054
   4    7   17   C3   C3   HC    175.883
   6    7   16   C3   C3   HC    175.881
   6    7   17   C3   C3   HC     92.056
  16    7   17   HC   C3   HC     92.063
   3    8    9   C3   C3   C3     82.499
   3    8   18   C3   C3   HC     92.504
   3    8   19   C3   C3   HC    174.997
   9    8   18   C3   C3   HC    175.004
   9    8   19   C3   C3   HC     92.497
  18    8   19   HC   C3   HC     92.499
   4    9    8   C3   C3   C3     97.503
   4    9   20   C3   C3   HC    174.994
   4    9   21   C3   C3   HC     87.499
   8    9   20   C3   C3   HC     87.503
   8    9   21   C3   C3   HC    174.998
  20    9   21   HC   C3   HC     87.496
   1   10    2   O3   C2   O2    120.001
   1   10    6   O3   C2   C3    119.999
   2   10    6   O2   C2   C3    120.001


TORSION ANGLES
  22    1   10    2      0.026
  22    1   10    6    179.974
   6    3    5    4    179.974
   6    3    5   13    179.974
   6    3    5   14      0.026
   8    3    5    4      0.026
   8    3    5   13      0.026
   8    3    5   14    179.974
  11    3    5    4    179.974
  11    3    5   13    179.974
  11    3    5   14      0.026
   5    3    6    7      0.026
   5    3    6   10    179.974
   5    3    6   15    179.974
   8    3    6    7    179.974
   8    3    6   10      0.026
   8    3    6   15      0.026
  11    3    6    7    179.974
  11    3    6   10      0.026
  11    3    6   15      0.026
   5    3    8    9      0.026
   5    3    8   18    179.974
   5    3    8   19      0.026
   6    3    8    9    179.974
   6    3    8   18      0.026
   6    3    8   19    179.974
  11    3    8    9    179.974
  11    3    8   18      0.026
  11    3    8   19    179.974
   7    4    5    3      0.026
   7    4    5   13    179.974
   7    4    5   14      0.026
   9    4    5    3    179.974
   9    4    5   13      0.026
   9    4    5   14    179.974
  12    4    5    3      0.026
  12    4    5   13    179.974
  12    4    5   14      0.026
   5    4    7    6    179.974
   5    4    7   16      0.026
   5    4    7   17    179.974
   9    4    7    6      0.026
   9    4    7   16    179.974
   9    4    7   17      0.026
  12    4    7    6      0.026
  12    4    7   16    179.974
  12    4    7   17      0.026
   5    4    9    8    179.974
   5    4    9   20      0.026
   5    4    9   21      0.026
   7    4    9    8      0.026
   7    4    9   20    179.974
   7    4    9   21    179.974
  12    4    9    8      0.026
  12    4    9   20    179.974
  12    4    9   21    179.974
   3    6    7    4      0.026
   3    6    7   16      0.026
   3    6    7   17    179.974
  10    6    7    4    179.974
  10    6    7   16    179.974
  10    6    7   17      0.026
  15    6    7    4      0.026
  15    6    7   16      0.026
  15    6    7   17    179.974
   3    6   10    1    179.974
   3    6   10    2      0.026
   7    6   10    1      0.026
   7    6   10    2    179.974
  15    6   10    1    179.974
  15    6   10    2      0.026
   3    8    9    4      0.026
   3    8    9   20    179.974
   3    8    9   21    179.974
  18    8    9    4      0.026
  18    8    9   20    179.974
  18    8    9   21    179.974
  19    8    9    4    179.974
  19    8    9   20      0.026
  19    8    9   21      0.026


CHIRAL ATOMS
  19    8    9   21      0.026
  19    8    9   21      0.026
  19    8    9   21      0.026